methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate

C10H19NO6S — CID 54952432

IUPACmethyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-10(2,9(13)17-4)11-18(14,15)7-5-6-8(12)16-3/h11H,5-7H2,1-4H3
InChIKeyXDPSVJDYHWOARO-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.19
Rot. Bonds7

About methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate

methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate (PubChem CID 54952432) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate
PubChem CID54952432
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Namemethyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-10(2,9(13)17-4)11-18(14,15)7-5-6-8(12)16-3/h11H,5-7H2,1-4H3
InChIKeyXDPSVJDYHWOARO-UHFFFAOYSA-N
XLogP-0.19
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate (CID 54952432) is methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate is COC(=O)CCCS(=O)(=O)NC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate?
The InChIKey is XDPSVJDYHWOARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-10(2,9(13)17-4)11-18(14,15)7-5-6-8(12)16-3/h11H,5-7H2,1-4H3.
What are the key properties of methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate?
methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate has a molecular weight of 281.33 g/mol, XLogP of -0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate is sourced from PubChem (CID 54952432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).